Common name
2-chloroacetamide
IUPAC name
2-chloroacetamide
SMILES
NC(=O)CCl
Common name
2-chloroacetamide
IUPAC name
2-chloroacetamide
SMILES
NC(=O)CCl
INCHI
InChI=1S/C2H4ClNO/c3-1-2(4)5/h1H2,(H2,4,5)
FORMULA
C2H4ClNO
Common name
2-chloroacetamide
IUPAC name
2-chloroacetamide
Molecular weight
93.512
clogP
0.075
clogS
-0.400
Frequency
0.0082
HBond Acceptor
1
HBond Donor
2
Total PolarSurface Area
43.09
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02351 | allidochlor |
|
Herbicide | Herbicide |
| FDBD02358 | CDEA |
|
Herbicide | Herbicide |
| FDBD02360 | dimethenamid |
|
Herbicide | Herbicide |
| FDBD02361 | dimethenamid-P |
|
Herbicide | Herbicide |
| FDBD02406 | acetochlor |
|
Herbicide | Herbicide |
| FDBD02407 | alachlor |
|
Herbicide | Herbicide |
| FDBD02408 | amidochlor |
|
Herbicide | Herbicide |
| FDBD02409 | butachlor |
|
Herbicide | Herbicide |
| FDBD02410 | butenachlor |
|
Herbicide | Herbicide |
| FDBD02411 | delachlor |
|
Herbicide | Herbicide |
24 ,
3
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1oth_ligand_1_4.mol2 | 1oth | 0.545455 | -5.86 | NC(=O)C | 4 |
| 4azb_ligand_frag_0.mol2 | 4azb | 0.545455 | -5.86 | CC(=O)N | 4 |
| 2h3e_ligand_1_1.mol2 | 2h3e | 0.545455 | -5.84 | C(=O)(N)C | 4 |
| 2j47_ligand_frag_0.mol2 | 2j47 | 0.545455 | -5.84 | O=C(N)C | 4 |
| 3g0i_ligand_1_3.mol2 | 3g0i | 0.545455 | -5.84 | CC(=O)N | 4 |
| 2ipo_ligand_1_1.mol2 | 2ipo | 0.545455 | -5.83 | CC(=O)N | 4 |
| 2vvs_ligand_frag_0.mol2 | 2vvs | 0.545455 | -5.83 | CC(=O)N | 4 |
| 2w66_ligand_frag_0.mol2 | 2w66 | 0.545455 | -5.83 | O=C(N)C | 4 |
2574 ,
258
